N'-(4-butylphenyl)-N-oxidanyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboximidamide

Systemtic Name: N'-(4-butylphenyl)-N-oxidanyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboximidamide Openeye Name: N'-(4-butylphenyl)-N-hydroxy-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamidine CAS Name: N'-(4-butylphenyl)-N-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboximidamide IUPAC Name: N'-(4-butylphenyl)-N-hydroxy-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboximidamide Traditional Name: N'-(4-butylphenyl)-N-hydroxy-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamidine Formula: C21H26F3N5O MolecularWeight: 421.45925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=C(NO)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=C(NO)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C21H26F3N5O/c1-2-3-5-16-7-9-17(10-8-16)26-20(27-30)29-14-12-28(13-15-29)19-18(21(22,23)24)6-4-11-25-19/h4,6-11,30H,2-3,5,12-15H2,1H3,(H,26,27)